Tandem mass spectrometry: analysis of complex mixtures

Thesis/Dissertation · Tue Jan 01 00:00:00 EST 1985

OSTI ID:5515196

Singleton, K E

Applications of tandem mass spectrometry (MS/MS) for the analysis of complex mixtures results in increased specificity and selectivity by using a variety of reagent gases in both negative and positive ion modes. Natural isotopic abundance ratios were examined in both simple and complex mixtures using parent, daughter and neutral loss scans. MS/MS was also used to discover new compounds. Daughter scans were used to identify seven new alkaloids in a cactus species. Three of these alkaloids were novel compounds, and included the first simple, fully aromatic isoquinoline alkaloids reported in Cactaceae. MS/MS was used to characterize the chemical reaction products of coal in studies designed to probe its macromolecular structure. Negative ion chemical ionization was utilized to study reaction products resulting from the oxidation of coal. Possible structural units in the precursor coal were predicted based on the reaction products identified, aliphatic and aromatic acids and their anhydrides. The MS/MS method was also used to characterize reaction products resulting from coal liquefaction and/or extraction. These studies illustrate the types of problems for which MS/MS is useful. Emphasis has been placed on characterization of complex mixtures by selecting experimental parameters which enhance the information obtained. The value of using MS/MS in conjunction with other analytical techniques as well as the chemical pretreatment is demonstrated.

• Research Organization: Purdue Univ., Lafayette, IN (USA)
• OSTI ID: 5515196
• Resource Relation: Other Information: Thesis (Ph. D.)
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
01 COAL, LIGNITE, AND PEAT
MASS SPECTROSCOPY
MIXTURES
QUANTITATIVE CHEMICAL ANALYSIS
ALKALOIDS
COAL
COAL LIQUEFACTION
ISOTOPES
OXIDATION
SOLVENT-REFINED COAL
CARBONACEOUS MATERIALS
CHEMICAL ANALYSIS
CHEMICAL REACTIONS
DISPERSIONS
ENERGY SOURCES
FOSSIL FUELS
FUELS
LIQUEFACTION
MATERIALS
ORGANIC COMPOUNDS
SPECTROSCOPY
THERMOCHEMICAL PROCESSES
400104* - Spectral Procedures- (-1987)
400202 - Isotope Effects
Isotope Exchange
& Isotope Separation
400301 - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)
010600 - Coal
Lignite
& Peat- Properties & Composition
010500 - Coal
Lignite
& Peat- Products & By-Products